MATAI: A Generalist Machine Learning Framework for Property Prediction and Inverse Design of Advanced Alloys

The discovery of advanced metallic alloys is hindered by vast composition spaces, competing property objectives, and real-world constraints on manufacturability. Here we introduce MATAI, a generalist machine learning framework for property prediction and inverse design of as-cast alloys. MATAI integrates a curated alloy database, deep neural network-based property predictors, a constraint-aware optimization engine, and an iterative AI-experiment feedback loop. The framework estimates key mechanical propertie, sincluding density, yield strength, ultimate tensile strength, and elongation, directly from composition, using multi-task learning and physics-informed inductive biases. Alloy design is framed as a constrained optimization problem and solved using a bi-level approach that combines local search with symbolic constraint programming. We demonstrate MATAI's capabilities on the Ti-based alloy system, a canonical class of lightweight structural materials, where it rapidly identifies candidates that simultaneously achieve lower density (<4.45 g/cm3), higher strength (>1000 MPa) and appreciable ductility (>5%) through only seven iterations. Experimental validation confirms that MATAI-designed alloys outperform commercial references such as TC4, highlighting the framework's potential to accelerate the discovery of lightweight, high-performance materials under real-world design constraints.

NoiseTrans: Point Cloud Denoising with Transformers

Point clouds obtained from capture devices or 3D reconstruction techniques are often noisy and interfere with downstream tasks. The paper aims to recover the underlying surface of noisy point clouds. We design a novel model, NoiseTrans, which uses transformer encoder architecture for point cloud denoising. Specifically, we obtain structural similarity of point-based point clouds with the assistance of the transformer's core self-attention mechanism. By expressing the noisy point cloud as a set of unordered vectors, we convert point clouds into point embeddings and employ Transformer to generate clean point clouds. To make the Transformer preserve details when sensing the point cloud, we design the Local Point Attention to prevent the point cloud from being over-smooth. In addition, we also propose sparse encoding, which enables the Transformer to better perceive the structural relationships of the point cloud and improve the denoising performance. Experiments show that our model outperforms state-of-the-art methods in various datasets and noise environments.